SCHEMBL20001482

SCHEMBL20001482

CCOC(=O)c1cc(Br)cc2c1nc(C)n2-c1ccnc2c(I)ccc(F)c12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 20/20 0.50
PIK3CD O00329 3/20 0.40
PIK3R1 P27986 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CB P42338 3/20 0.40
PIK3CG P48736 1/20 0.40
CYP3A4 P08684 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19989816 0.93 PIK3R2 (0.58) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL20001483 0.91 PIK3R2 (0.51) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL19989916 0.89 PIK3R2 (0.60) PIK3R2
SCHEMBL19989977 0.86 PIK3R2 (0.51) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL19990057 0.85 PIK3R2 (0.59) PIK3R2
SCHEMBL19989976 0.83 PIK3R2 (0.47) PIK3R2
SCHEMBL19989972 0.82 PIK3R2 (0.48) PIK3R2
SCHEMBL19990051 0.81 PIK3R2 (0.50) PIK3R2
SCHEMBL19989932 0.81 PIK3R2 (0.69) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL19989981 0.80 PIK3R2 (0.61) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018057810-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 WO disclosed